Development of 3D Polymer DFT and Its Application to Molecular Transport through a Surfactant-Covered Interface
Sign Up to like & getrecommendations! Published in 2018 at "Aiche Journal"
DOI: 10.1002/aic.15858
Abstract: We have developed a three-dimensional polymer density functional theory (DFT) and applied it to predict the thermodynamic and structural information of molecular transport through a surfactant-covered interface. The green recursive function method has been employed… read more here.
Keywords: dft; transport; surfactant covered; transport surfactant ... See more keywords
Radical based molecular transport system as good molecular spintronics device predicted by first-principles study
Sign Up to like & getrecommendations! Published in 2017 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2017.03.009
Abstract: Abstract Using a first-principles approach based on non-equilibrium Green’s functions combing density functional theory, the transport properties of “radical-σ-radical” molecule sandwiched between two gold leads are investigated. The strong negative differential resistance (DNR) effect and… read more here.
Keywords: transport system; transport; first principles; molecular spintronics ... See more keywords
Quantitative Assessment of Molecular Transport through Sub-3 nm Silica Nanochannels by Scanning Electrochemical Microscopy.
Sign Up to like & getrecommendations! Published in 2019 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.8b04795
Abstract: Scanning electrochemical microscopy (SECM) has been proved to be a powerful technique to study molecular transport across ionic channels in biomembranes and artificial nanoporous membranes. In this work SECM was used to study the dynamics… read more here.
Keywords: microscopy; transport; scanning electrochemical; electrochemical microscopy ... See more keywords
Enantioselective Molecular Transport in Multilayer Graphene Nanopores.
Sign Up to like & getrecommendations! Published in 2017 at "Nano letters"
DOI: 10.1021/acs.nanolett.7b02846
Abstract: Multilayer superstructures based on stacked layered nanomaterials offer the possibility to design three-dimensional (3D) nanopores with highly specific properties analogous to protein channels. In a layer-by-layer design and stacking, analogous to molecular printing, superstructures with… read more here.
Keywords: graphene; transport; enantioselective molecular; transport multilayer ... See more keywords
Finite-size charged species diffusion and pH change in nanochannels.
Sign Up to like & getrecommendations! Published in 2020 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.9b19182
Abstract: Molecular transport through nanofluidic structures exhibits properties that are unique at the nanoscale. The high surface-to-volume ratio of nanometer-sized confined spaces renders particle interactions with the surface of central importance. The electrical double layer (EDL)… read more here.
Keywords: finite size; size charged; change; transport ... See more keywords
Models of electroporation and the associated transmembrane molecular transport should be revisited.
Sign Up to like & getrecommendations! Published in 2022 at "Bioelectrochemistry"
DOI: 10.2139/ssrn.4133314
Abstract: Electroporation has become a powerful tool for nonviral delivery of various biomolecules such as nucleic acids, proteins, and chemotherapeutic drugs to virtually any living cell by exposing the cell membrane to an intense pulsed electric… read more here.
Keywords: electroporation; models electroporation; transport; associated transmembrane ... See more keywords
Ion and Molecular Transport in Solid Electrolytes Studied by NMR
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms23095011
Abstract: NMR is the method of choice for molecular and ionic structures and dynamics investigations. The present review is devoted to solvation and mobilities in solid electrolytes, such as ion-exchange membranes and composite materials, based on… read more here.
Keywords: transport solid; electrolytes studied; ion molecular; solid electrolytes ... See more keywords
Molecular Transport within Polymer Brushes: A FRET View at Aqueous Interfaces
Sign Up to like & getrecommendations! Published in 2022 at "Molecules"
DOI: 10.3390/molecules27093043
Abstract: Molecular permeability through polymer brush chains is implicated in surface lubrication, wettability, and solute capture and release. Probing molecular transport through polymer brushes can reveal information on the polymer nanostructure, with a permeability that is… read more here.
Keywords: transport within; brush; transport; polymer brushes ... See more keywords
Interplay of Hydropathy and Heterogeneous Diffusion in the Molecular Transport within Lamellar Lipid Mesophases
Sign Up to like & getrecommendations! Published in 2023 at "Pharmaceutics"
DOI: 10.3390/pharmaceutics15020573
Abstract: Lipid mesophases are being intensively studied as potential candidates for drug-delivery purposes. Extensive experimental characterization has unveiled a wide palette of release features depending on the nature of the host lipids and of the guest… read more here.
Keywords: interplay hydropathy; lipid mesophases; hydropathy heterogeneous; molecular transport ... See more keywords
A Comparative Study of PMETAC-Modified Mesoporous Silica and Titania Thin Films for Molecular Transport Manipulation
Sign Up to like & getrecommendations! Published in 2022 at "Polymers"
DOI: 10.3390/polym14224823
Abstract: The manipulation and understanding of molecular transport across functionalized nanopores will take us closer to mimicking biological membranes and thus to design high-performance permselective separation systems. In this work, Surface-initiated atom transfer radical polymerization (SI-ATRP)… read more here.
Keywords: titania thin; mesoporous silica; thin films; manipulation ... See more keywords